3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C27H23N5 — CID 143495210

IUPAC3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3=CCCCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C27H23N5/c28-26-25-24(31-27(32(25)16-15-29-26)20-9-5-2-6-10-20)21-12-11-19-13-14-22(30-23(19)17-21)18-7-3-1-4-8-18/h1,3-4,7-9,11-17H,2,5-6,10H2,(H2,28,29)
InChIKeyWIFOKFHJYWYEMC-UHFFFAOYSA-N
MW417.52 g/mol
LogP6.15
Rot. Bonds3

About 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143495210) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID143495210
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3=CCCCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C27H23N5/c28-26-25-24(31-27(32(25)16-15-29-26)20-9-5-2-6-10-20)21-12-11-19-13-14-22(30-23(19)17-21)18-7-3-1-4-8-18/h1,3-4,7-9,11-17H,2,5-6,10H2,(H2,28,29)
InChIKeyWIFOKFHJYWYEMC-UHFFFAOYSA-N
XLogP6.15
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 143495210) is 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3=CCCCC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is WIFOKFHJYWYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5/c28-26-25-24(31-27(32(25)16-15-29-26)20-9-5-2-6-10-20)21-12-11-19-13-14-22(30-23(19)17-21)18-7-3-1-4-8-18/h1,3-4,7-9,11-17H,2,5-6,10H2,(H2,28,29).
What are the key properties of 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 417.52 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143495210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).